SCHEMBL97475

SCHEMBL97475

[CH2]CN(CCCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CNR2 P34972 1/20 0.41
ESR1 P03372 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL96482 0.94 NPC1 (0.45) NR1H2NR1H3TSHRTDP1CNR2
SCHEMBL96181 0.92 NPC1 (0.47) NR1H2NR1H3TSHRCNR2TP53
SCHEMBL95956 0.88 TSHR (0.45) TSHRCNR2ESR1NPSR1TP53
SCHEMBL107013 0.87 CNR2 (0.49) NR1H2NR1H3TSHRTDP1CNR2
SCHEMBL7287489 0.86 CNR2 (0.43) NR1H2NR1H3TSHRTDP1CNR2
Hydrochloric Acid SCHEMBL2141325 0.85 CNR2 (0.48) NR1H2NR1H3TSHRTDP1CNR2
SCHEMBL18074044 0.85 CNR2 (0.48) NR1H2NR1H3TSHRTDP1CNR2
SCHEMBL95426 0.85 CNR2 (0.43) NR1H2NR1H3TSHRTDP1CNR2
SCHEMBL25226363 0.83 NPC1 (0.49) NR1H2NR1H3TSHRTDP1CNR2
SCHEMBL2698252 0.83 TSHR (0.55) NR1H2NR1H3TSHRTDP1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB NR1H2 168/4885NR1H3 223/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NR1H2 287/4885NR1H3 339/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NR1H2 287/4885NR1H3 339/4885TSHR 110/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.